[(3R,4S,6R)-3-acetyloxy-2-methyl-2-oxidanyl-6-[(8S,9S,10S,11S,14R)-4,4,8,10,14-pentamethyl-11-oxidanyl-3,16-bis(oxidanylidene)-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-4-yl] ethanoate

Systemtic Name: [(3R,4S,6R)-3-acetyloxy-2-methyl-2-oxidanyl-6-[(8S,9S,10S,11S,14R)-4,4,8,10,14-pentamethyl-11-oxidanyl-3,16-bis(oxidanylidene)-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-4-yl] ethanoate Openeye Name: [(1S,2R)-2-acetoxy-3-hydroxy-1-[(2R)-2-[(8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-butyl] acetate CAS Name: acetic acid [(3R,4S,6R)-3-acetyloxy-2-hydroxy-6-[(8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] ester IUPAC Name: [(3R,4S,6R)-3-acetyloxy-2-hydroxy-6-[(8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-4-yl] acetate Traditional Name: acetic acid [(1S,2R)-2-acetoxy-3-hydroxy-1-[(2R)-2-[(8S,9S,10S,11S,14R)-11-hydroxy-3,16-diketo-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-butyl] ester Formula: C34H52O8 MolecularWeight: 588.77188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C(C)(C)O)OC(=O)C)OC(=O)C)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1=O)C)C)(C)C)C)O

Isomeric SMILES

C[C@H](C[C@@H]([C@H](C(C)(C)O)OC(=O)C)OC(=O)C)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C(C4CC[C@@]3([C@]2(CC1=O)C)C)(C)C)C)O

InChI

InChI=1S/C34H52O8/c1-18(15-24(41-19(2)35)29(31(6,7)40)42-20(3)36)27-21-16-22(37)28-32(8)13-12-26(39)30(4,5)25(32)11-14-33(28,9)34(21,10)17-23(27)38/h18,22,24-25,28-29,37,40H,11-17H2,1-10H3/t18-,22+,24+,25?,28+,29-,32+,33+,34+/m1/s1